N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide

C29H40N4O2 — CID 135542785

IUPACN-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCCCCN)C(C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C29H40N4O2/c1-3-4-5-8-13-23-16-18-24(19-17-23)29(35)33(21-12-7-6-11-20-30)22(2)27-31-26-15-10-9-14-25(26)28(34)32-27/h9-10,14-19,22H,3-8,11-13,20-21,30H2,1-2H3,(H,31,32,34)
InChIKeyWNLVCMKFATUWNK-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.77
Rot. Bonds14

About N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide

N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (PubChem CID 135542785) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
PubChem CID135542785
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(CCCCCCN)C(C)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C29H40N4O2/c1-3-4-5-8-13-23-16-18-24(19-17-23)29(35)33(21-12-7-6-11-20-30)22(2)27-31-26-15-10-9-14-25(26)28(34)32-27/h9-10,14-19,22H,3-8,11-13,20-21,30H2,1-2H3,(H,31,32,34)
InChIKeyWNLVCMKFATUWNK-UHFFFAOYSA-N
XLogP5.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-aminohexyl)-3-chloro-N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135619403
N-(6-aminohexyl)-3-fluoro-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135619232
N-(6-aminohexyl)-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 135619367
(E)-N-(6-aminohexyl)-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 135622575
1-(6-aminohexyl)-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135516976
1-(6-aminohexyl)-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135449474
N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide
CID 135533966
6-[[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-(3-phenylpropanoyl)amino]hexylazanium
CID 135622605
6-[(3-chlorobenzoyl)-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]hexylazanium
CID 135619400
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 135816943
1-(6-aminohexyl)-3-(3-methoxyphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135500162
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (CID 135542785) is N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is CCCCCCc1ccc(C(=O)N(CCCCCCN)C(C)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The InChIKey is WNLVCMKFATUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-3-4-5-8-13-23-16-18-24(19-17-23)29(35)33(21-12-7-6-11-20-30)22(2)27-31-26-15-10-9-14-25(26)28(34)32-27/h9-10,14-19,22H,3-8,11-13,20-21,30H2,1-2H3,(H,31,32,34).
What are the key properties of N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide has a molecular weight of 476.67 g/mol, XLogP of 5.77, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 135542785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).